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Product Overview

Product Code

TRC-I124970

CAS Number

936563-96-1

Product Format

Neat

Molecular Formula

C25 H24 N6 O2

Molecular Weight

440.50

API Family

Ibrutinib

Product Type

Impurity, API

Product Information

Analyte Name

Ibrutinib

CAS Number

936563-96-1

Molecular Formula

C25 H24 N6 O2

Molecular Weight

440.50

Accurate Mass

440.1961

SMILES

Nc1ncnc2c1c(nn2[C@@H]3CCCN(C3)C(=O)C=C)c4ccc(Oc5ccccc5)cc4

InChI

InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1

IUPAC

1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity; API

Product Format

Neat

API Family

Ibrutinib

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